ethyl 4-(2,3-dihydro-1-benzofuran-5-yl)but-3-enoate

C14H16O3 — CID 170796261

IUPACethyl 4-(2,3-dihydro-1-benzofuran-5-yl)but-3-enoate
SMILESCCOC(=O)CC=Cc1ccc2c(c1)CCO2
InChIInChI=1S/C14H16O3/c1-2-16-14(15)5-3-4-11-6-7-13-12(10-11)8-9-17-13/h3-4,6-7,10H,2,5,8-9H2,1H3
InChIKeyBSJJZCXDFVBQQV-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.59
Rot. Bonds4

About ethyl 4-(2,3-dihydro-1-benzofuran-5-yl)but-3-enoate

ethyl 4-(2,3-dihydro-1-benzofuran-5-yl)but-3-enoate (PubChem CID 170796261) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is ethyl 4-(2,3-dihydro-1-benzofuran-5-yl)but-3-enoate.

Molecular Properties

Compound Nameethyl 4-(2,3-dihydro-1-benzofuran-5-yl)but-3-enoate
PubChem CID170796261
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Nameethyl 4-(2,3-dihydro-1-benzofuran-5-yl)but-3-enoate
SMILESCCOC(=O)CC=Cc1ccc2c(c1)CCO2
InChIInChI=1S/C14H16O3/c1-2-16-14(15)5-3-4-11-6-7-13-12(10-11)8-9-17-13/h3-4,6-7,10H,2,5,8-9H2,1H3
InChIKeyBSJJZCXDFVBQQV-UHFFFAOYSA-N
XLogP2.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-3-oxobutanoate
CID 162719034
N-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enyl]acetamide
CID 169465576
propyl 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate
CID 112725026
3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide
CID 74868098
5-(4-chlorobut-1-enyl)-2,3-dihydro-1-benzofuran
CID 170499269
ethyl 4-(3-oxo-4H-1,4-benzoxazin-7-yl)but-3-enoate
CID 170796888
methyl 2-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl-ethylamino]acetate
CID 76899075
ethyl 2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 54458812
(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenol
CID 90352085
fluoro (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate
CID 143200425
N-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enyl]-2-methylpropan-2-amine
CID 79346860
ethyl 4-(2-methyl-1,3-benzoxazol-6-yl)but-3-enoate
CID 170796348

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,3-dihydro-1-benzofuran-5-yl)but-3-enoate?
The IUPAC name of ethyl 4-(2,3-dihydro-1-benzofuran-5-yl)but-3-enoate (CID 170796261) is ethyl 4-(2,3-dihydro-1-benzofuran-5-yl)but-3-enoate.
What is the SMILES notation for ethyl 4-(2,3-dihydro-1-benzofuran-5-yl)but-3-enoate?
The canonical SMILES for ethyl 4-(2,3-dihydro-1-benzofuran-5-yl)but-3-enoate is CCOC(=O)CC=Cc1ccc2c(c1)CCO2.
What is the InChIKey of ethyl 4-(2,3-dihydro-1-benzofuran-5-yl)but-3-enoate?
The InChIKey is BSJJZCXDFVBQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-2-16-14(15)5-3-4-11-6-7-13-12(10-11)8-9-17-13/h3-4,6-7,10H,2,5,8-9H2,1H3.
What are the key properties of ethyl 4-(2,3-dihydro-1-benzofuran-5-yl)but-3-enoate?
ethyl 4-(2,3-dihydro-1-benzofuran-5-yl)but-3-enoate has a molecular weight of 232.28 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,3-dihydro-1-benzofuran-5-yl)but-3-enoate is sourced from PubChem (CID 170796261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).